3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-isopropylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-p-cumenyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H28N2O2S/c1-19(2)21-10-12-24(13-11-21)31-28(32)26(30-17-16-22-6-4-5-7-23(22)18-30)27(29(31)33)34-25-14-8-20(3)9-15-25/h4-15,19H,16-18H2,1-3H3